SCHEMBL9078752

SCHEMBL9078752

CCC(C)CNC(=O)c1cc(C(=O)NCC(C)CC)cc(N(CC(=O)O)C(=O)CCl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 0.42
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAMPT P43490 3/20 0.35
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE10A Q9Y233 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4580804 0.83 GAA (0.39) NNMTGAAKMT2AHSD17B10NAMPT
SCHEMBL1387584 0.82 NAMPT (0.36) NNMTGAAKMT2AHSD17B10NAMPT
SCHEMBL9098625 0.79 CHRM3 (0.34) NAMPT
SCHEMBL13350424 0.77 GAA (0.55) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL4582088 0.70 DRD4 (0.38) GAAKMT2AHSD17B10NAMPTLMNA
SCHEMBL9079648 0.70 HSD17B10 (0.42) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL4580800 0.70 NAMPT (0.40) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL4582006 0.69 GAA (0.46) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL13044612 0.69 ATM (0.48) GAAKMT2AHSD17B10NAMPTHPGD
SCHEMBL17865782 0.68 NAMPT (0.58) GAAKMT2AHSD17B10NAMPTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 US disclosed
EP-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 EP disclosed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 WO disclosed